SCHEMBL4596879

SCHEMBL4596879

O=C1CCCc2cc(-c3ccc(C(F)(F)F)cc3)ccc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 5/20 0.65
MAOA P21397 3/20 0.60
MAOB P27338 3/20 0.60
TDP2 O95551 1/20 0.55
HRH3 Q9Y5N1 2/20 0.53
KIF11 P52732 1/20 0.52
PRKCI P41743 1/20 0.50
PARP10 Q53GL7 1/20 0.47
PARP11 Q9NR21 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
PGR P06401 1/20 0.45
CYP2A6 P11509 1/20 0.43
GRM5 P41594 1/20 0.43
BAZ2B Q9UIF8 1/20 0.42
MAPK14 Q16539 1/20 0.42
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5109850 0.87 MAOB (0.62) HSD17B1MAOAMAOBTDP2KIF11
SCHEMBL4418024 0.87 PARP10 (0.64) HSD17B1MAOAMAOBHRH3PRKCI
SCHEMBL2706902 0.83 HSD17B1 (0.57) HSD17B1MAOAMAOBTDP2HRH3
SCHEMBL7506302 0.82 HSD17B1 (0.71) HSD17B1MAOAMAOBHRH3PRKCI
SCHEMBL7507255 0.81 HSD17B1 (0.69) HSD17B1MAOAMAOBHRH3PRKCI
SCHEMBL30837166 0.81 HSD17B1 (0.60) HSD17B1MAOAMAOBHRH3PRKCI
SCHEMBL7584101 0.80 HSD17B1 (0.73) HSD17B1MAOAMAOBTDP2HRH3
SCHEMBL6969308 0.80 PARP10 (0.67) HSD17B1TDP2HRH3KIF11PARP10
SCHEMBL4418225 0.79 HSD17B1 (0.71) HSD17B1MAOAMAOBTDP2PRKCI
SCHEMBL6247902 0.79 TDP2 (0.55) HSD17B1MAOAMAOBTDP2HRH3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 US disclosed
EP-1874753-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-09 EP disclosed
WO-2006113432-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080176830-A1 Compounds, Compositions, and Methods ALPP, PCNA, MKI67 HSD17B1 525/4885MAOA 3158/4885MAOB 2353/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.